6-(6-methyl-2-pyridinyl)-5-(3-methylsulfonylphenyl)-2,3-dihydro-1H-imidazo[1,2-a]imidazole

C18H18N4O2S — CID 170340945

IUPAC6-(6-methyl-2-pyridinyl)-5-(3-methylsulfonylphenyl)-2,3-dihydro-1H-imidazo[1,2-a]imidazole
SMILESCc1cccc(-c2nc3n(c2-c2cccc(S(C)(=O)=O)c2)CCN3)n1
InChIInChI=1S/C18H18N4O2S/c1-12-5-3-8-15(20-12)16-17(22-10-9-19-18(22)21-16)13-6-4-7-14(11-13)25(2,23)24/h3-8,11H,9-10H2,1-2H3,(H,19,21)
InChIKeyWHERFKLWDOCAFD-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.75
Rot. Bonds3

About 6-(6-methyl-2-pyridinyl)-5-(3-methylsulfonylphenyl)-2,3-dihydro-1H-imidazo[1,2-a]imidazole

6-(6-methyl-2-pyridinyl)-5-(3-methylsulfonylphenyl)-2,3-dihydro-1H-imidazo[1,2-a]imidazole (PubChem CID 170340945) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is 6-(6-methyl-2-pyridinyl)-5-(3-methylsulfonylphenyl)-2,3-dihydro-1H-imidazo[1,2-a]imidazole.

Molecular Properties

Compound Name6-(6-methyl-2-pyridinyl)-5-(3-methylsulfonylphenyl)-2,3-dihydro-1H-imidazo[1,2-a]imidazole
PubChem CID170340945
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name6-(6-methyl-2-pyridinyl)-5-(3-methylsulfonylphenyl)-2,3-dihydro-1H-imidazo[1,2-a]imidazole
SMILESCc1cccc(-c2nc3n(c2-c2cccc(S(C)(=O)=O)c2)CCN3)n1
InChIInChI=1S/C18H18N4O2S/c1-12-5-3-8-15(20-12)16-17(22-10-9-19-18(22)21-16)13-6-4-7-14(11-13)25(2,23)24/h3-8,11H,9-10H2,1-2H3,(H,19,21)
InChIKeyWHERFKLWDOCAFD-UHFFFAOYSA-N
XLogP2.75
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(6-methyl-2-pyridinyl)-5-phenyl-2,3-dihydro-1H-imidazo[1,2-a]imidazole
CID 141356712
6-[6-(6-methyl-2-pyridinyl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-2,3-dihydroquinoxaline
CID 144508765
6-[6-(6-methoxy-2-pyridinyl)-2,3-dihydro-1H-imidazo[1,2-a]imidazol-5-yl]-1,3-benzothiazole
CID 170340974
1-[6-(6-methyl-2-pyridinyl)-5-(3-methylsulfanylphenyl)-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone
CID 170341040
2-(4,5-dimethyl-1H-pyrazol-3-yl)-6-methylpyridine
CID 147261627
2-(6-methyl-2-pyridinyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one
CID 139946211
3-chloro-2-(3-methylsulfonylphenyl)imidazo[4,5-b]pyridine
CID 69278967
2-methyl-6-[4-[2-(4-methylsulfonylphenyl)-4-pyridinyl]-1-[(3R)-pyrrolidin-3-yl]pyrazol-3-yl]pyridine;hydrochloride
CID 139451622
2-methyl-6-[4-[3-(4-methylsulfonylphenyl)phenyl]-2-propan-2-yl-1H-imidazol-5-yl]pyridine
CID 11647672
2,5-dimethyl-3-(3-methylsulfonylphenyl)-1H-pyrrolo[3,2-b]pyridine
CID 151223265
8-methyl-2-(6-methyl-2-pyridinyl)-3-(2-methylsulfonylpyrimidin-4-yl)imidazo[1,2-a]pyridine
CID 66679140
2-methyl-6-[5-[3-[5-(6-methyl-2-pyridinyl)-2H-triazol-4-yl]phenyl]-2H-triazol-4-yl]pyridine
CID 138453473

Frequently Asked Questions

What is the IUPAC name of 6-(6-methyl-2-pyridinyl)-5-(3-methylsulfonylphenyl)-2,3-dihydro-1H-imidazo[1,2-a]imidazole?
The IUPAC name of 6-(6-methyl-2-pyridinyl)-5-(3-methylsulfonylphenyl)-2,3-dihydro-1H-imidazo[1,2-a]imidazole (CID 170340945) is 6-(6-methyl-2-pyridinyl)-5-(3-methylsulfonylphenyl)-2,3-dihydro-1H-imidazo[1,2-a]imidazole.
What is the SMILES notation for 6-(6-methyl-2-pyridinyl)-5-(3-methylsulfonylphenyl)-2,3-dihydro-1H-imidazo[1,2-a]imidazole?
The canonical SMILES for 6-(6-methyl-2-pyridinyl)-5-(3-methylsulfonylphenyl)-2,3-dihydro-1H-imidazo[1,2-a]imidazole is Cc1cccc(-c2nc3n(c2-c2cccc(S(C)(=O)=O)c2)CCN3)n1.
What is the InChIKey of 6-(6-methyl-2-pyridinyl)-5-(3-methylsulfonylphenyl)-2,3-dihydro-1H-imidazo[1,2-a]imidazole?
The InChIKey is WHERFKLWDOCAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-12-5-3-8-15(20-12)16-17(22-10-9-19-18(22)21-16)13-6-4-7-14(11-13)25(2,23)24/h3-8,11H,9-10H2,1-2H3,(H,19,21).
What are the key properties of 6-(6-methyl-2-pyridinyl)-5-(3-methylsulfonylphenyl)-2,3-dihydro-1H-imidazo[1,2-a]imidazole?
6-(6-methyl-2-pyridinyl)-5-(3-methylsulfonylphenyl)-2,3-dihydro-1H-imidazo[1,2-a]imidazole has a molecular weight of 354.44 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-methyl-2-pyridinyl)-5-(3-methylsulfonylphenyl)-2,3-dihydro-1H-imidazo[1,2-a]imidazole is sourced from PubChem (CID 170340945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).